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root/OpenMD/branches/development/src/nonbonded/Electrostatic.cpp
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Comparing branches/development/src/nonbonded/Electrostatic.cpp (file contents):
Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC vs.
Revision 1814 by gezelter, Tue Nov 27 21:13:48 2012 UTC

# Line 953 | Line 953 | namespace OpenMD {
953          F  -= pref * (DadDb * rhat + rdDb * D_a + rdDa * D_b)*v23;
954          F  -= pref * (rdDa * rdDb) * v24 * rhat;
955          Ta += pref * ( v21 * DaxDb - v22 * rdDb * rxDa);
956 <        Tb += pref * (-v21 * DaxDb + v22 * rdDa * rxDb);
956 >        Tb += pref * (-v21 * DaxDb - v22 * rdDa * rxDb);
957  
958          // Even if we excluded this pair from direct interactions, we
959          // still have the reaction-field-mediated dipole-dipole
# Line 1007 | Line 1007 | namespace OpenMD {
1007          F  += pref * (rdDb * rdQar * rhat * v35);
1008          Ta += pref * ((-2.0*cross(DbdQa, rhat) + 2.0*DbxQar)*v31
1009                        + 2.0*rdDb*rxQar*v32);
1010 <        Tb += pref * ((trQa*rxDb + 2.0 * DbxQar)*v31 + rxDb*rdQar*v32);
1010 >        Tb += pref * ((trQa*rxDb - 2.0 * DbxQar)*v31 + rxDb*rdQar*v32);
1011        }
1012        if (b_is_Quadrupole) {
1013          pref = pre44_ * *(idat.electroMult);

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